• Title/Summary/Keyword: PLS(Partial Least Square) Regression Analysis

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A Study on the Heterogeneity of Leisure Travel Time between Elderly and Non Elderly People - Focusing on urban and rural areas in south Chungcheong province - (고령자와 비고령자의 여가통행시간 이질성 연구 - 충남 도시권과 농어촌권을 중심으로 -)

  • Kim, Wonchul
    • The Journal of The Korea Institute of Intelligent Transport Systems
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    • v.12 no.5
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    • pp.87-97
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    • 2013
  • This study tried to explore the quantitative travel heterogeneity between elderly and non elderly people, focusing on urban and rural areas in south Chungcheong province. For the analysis, a PLS(Partial least square) model is applied with economic and traffic environment characteristics of the urban and rural areas. The characteristics of elderly and non elderly people in the urban and rural areas are derived from the 2011 person trip survey. As a result, the study found out that the key factors affect on elderly people in the urban and rural areas are bus operation interval, number of bus operation routes, number of household member, and a monthly average income of household. In case of non elderly people, areas economic factors such as GRDP, the rate of economic activity, and employment status as well as those of elderly people. Meanwhile, female elderly people in rural area have more sensitivity compared to male elderly people and the gender heterogeneity is not revealed in non elderly people.

Untargeted metabolomics using liquid chromatography-high resolution mass spectrometry and chemometrics for analysis of non-halal meats adulteration in beef meat

  • Anjar Windarsih;Nor Kartini Abu Bakar;Abdul Rohman;Nancy Dewi Yuliana;Dachriyanus Dachriyanus
    • Animal Bioscience
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    • v.37 no.5
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    • pp.918-928
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    • 2024
  • Objective: The adulteration of raw beef (BMr) with dog meat (DMr) and pork (PMr) becomes a serious problem because it is associated with halal status, quality, and safety of meats. This research aimed to develop an effective authentication method to detect non-halal meats (dog meat and pork) in beef using metabolomics approach. Methods: Liquid chromatography-high resolution mass spectrometry (LC-HRMS) using untargeted approach combined with chemometrics was applied for analysis non-halal meats in BMr. Results: The untargeted metabolomics approach successfully identified various metabolites in BMr DMr, PMr, and their mixtures. The discrimination and classification between authentic BMr and those adulterated with DMr and PMr were successfully determined using partial least square-discriminant analysis (PLS-DA) with high accuracy. All BMr samples containing non-halal meats could be differentiated from authentic BMr. A number of discriminating metabolites with potential as biomarkers to discriminate BMr in the mixtures with DMr and PMr could be identified from the analysis of variable importance for projection value. Partial least square (PLS) and orthogonal PLS (OPLS) regression using discriminating metabolites showed high accuracy (R2 >0.990) and high precision (both RMSEC and RMSEE <5%) in predicting the concentration of DMr and PMr present in beef indicating that the discriminating metabolites were good predictors. The developed untargeted LC-HRMS metabolomics and chemometrics successfully identified non-halal meats adulteration (DMr and PMr) in beef with high sensitivity up to 0.1% (w/w). Conclusion: A combination of LC-HRMS untargeted metabolomic and chemometrics promises to be an effective analytical technique for halal authenticity testing of meats. This method could be further standardized and proposed as a method for halal authentication of meats.

Determination of Chemical Composition of Toasted Burley Tobacco by Near Infrared Spectroscopy (근적외선분광법을 이용한 버어리 토스트엽의 화학성분 분석)

  • 김용옥;정한주;백순옥;김기환
    • Journal of the Korean Society of Tobacco Science
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    • v.17 no.2
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    • pp.177-183
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    • 1995
  • This study was conducted to develop the most precise NIR(near infrared spectrometric) calibration for rapid determination of chemical composition in ground samples of toasted burley tobacco using stepwise, stepup, principal component regression(PCR), partial least square(PLS) and modified partial least square(MPLS) calibration method. The number of wavelength(W) selected by stepup multiple linear regression using: second derivative spectra was as follows: total sugar(TS)-4 W, nicotine-9 W, total nitrogen(TN)-2 W, ash-8 W, total volatile base(TVB)-5 W, chlorine4 W, L of color-6 W, a of color-6 W and b of color-7 W. Comparing the calibration equations followed by each chemical components, the most precise calibration equation was MPLS for 75, a and b of color, PLS for nicotine, ash, TVB, chlorine and L of color and stepup for TN. The standard error of calibration(SEC) and standard error of performance(SEP) between result of near infrared analysis and standard laboratory analysis were 0.18, 0.40% for 75, 0.06, 0.08% for nicotine, 0.18, 0.16% for TN, 0.33, 0.46% for ash, 0.04, 0.03% for TVB, 0.08, 0.06% for chlorine, 0.54, 0.58 for L of color, 0.22, 0.22 for a of color and 0.27, 0.27 for b of color, respectively. The SEC and SEP of ash and TVB were within allowable error of standard laboratory analysis, nicotine, TN and chlorine were 1.2-2.0 times and 75 were 2.1-4.0 times larger than allowable error of standard laboratory analysis. The ratio of SEC and SEP to mean were 1.5, 1.6% for L of color, 3.7, 3.8% for a of color and 1.8, 1.8% for b of color, respectively. Key words : burley tobacco chemistry, near infrared spectroscopy.

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Multivariate Statistical Analysis Approach to Predict the Reactor Properties and the Product Quality of a Direct Esterification Reactor for PET Synthesis (다변량 통계분석법을 이용한 PET 중합공정 중 직접 에스테르화 반응기의 거동 및 생산제품 예측)

  • Kim Sung Young;Chung Chang Bock;Choi Soo Hyoung;Lee Bomsock;Lee Bomsock
    • Journal of Institute of Control, Robotics and Systems
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    • v.11 no.6
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    • pp.550-557
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    • 2005
  • The multivariate statistical analysis methods, using both multiple linear regression(MLR) and partial least square(PLS), have been applied to predict the reactor properties and the product quality of a direct esterification reactor for polyethylene terephthalate(PET) synthesis. On the basis of the set of data including the flow rate of water vapor, the flow rate of EG vapor, the concentration of acid end groups of a product and other operating conditions such as temperature, pressure, reaction times and feed monomer mole ratio, two multi-variable analysis methods have been applied. Their regression and prediction abilities also have been compared. The prediction results are critically compared with the actual plant data and the other mathematical model based results in reliability. This paper shows that PLS method approach can be used for the reasonably accurate prediction of a product quality of a direct esterification reactor in PET synthesis process.

Analysis of Protein and Moisture Contents in Pea(Pisum sativum L. Using Near-Infrared Reflectance Spectroscopy

  • Jung, Chan-Sik;Kim, Byung-Joo;Kwon, Yil-Chan;Han, Won-Young;Kwack, Yong-Ho
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.43 no.2
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    • pp.101-104
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    • 1998
  • This study was conducted to establish a rapid analysis method for determining protein and moisture contents of pea. Ninety and eighty pea (Pisum sativum L.) lines were analyzed to determine protein and moisture contents, respectively using near-infrared reflectance spectroscopy. Simple correlations (${\gamma}$) of protein content in a ground sample and an intact grain sample by an automatic regression method were 0.978 and 0.910, respectively. Simple correlations by partial least square regression/principal component analysis (PLS/PCA) methods were 0.982 and 0.925, respectively. Standard error of performance (SEP) in protein content was the lowest value, 0.446 in ground sample by PLS/PCA methods. Simple correlation of moisture content was the highest at 0.871 in ground samples. when using a standard regression method. Accuracy for the moisture content was slightly lower than for protein content. It was concluded that the NIRS method would be applicable only for rapid determination of protein content in pea.

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Analysis of Main Design Factors for Developing a Soil Water Content Sensor Using Impedance Spectroscopy (Impedance Spectroscopy를 이용한 토양 수분함량 센서의 주요 설계인자 분석)

  • Lee, Dong-Hoon;Cho, Yong-Jin;Chang, Young-Chang;Lee, Kyou-Seung
    • Journal of Biosystems Engineering
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    • v.33 no.4
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    • pp.269-275
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    • 2008
  • This study was conducted to design an impedance sensor that can measure soil water content of soils. Partial least square regression (PLSR) was applied to soil impedance data preprocessed with a smoothing method. An optimal sub-spectrum size and wavelength range were determined by comparing the coefficient of determination ($R^2$) and root mean square error (RMSE) of the PLSR models obtained using soil impedance data. various PLS analysis. Based on the PLSR analysis, it would be concluded that the optimal spectrum measurement range was $32.0{\sim}50.0\;MHz$ with the optimal sub-spectrum size of about 18.5 MHz.

Chemometric Analysis of 2D Fluorescence Spectra for Monitoring and Modeling of Fermentation Processes (생물공정 모니터링 및 모델링을 위한 2차원 형광스펙트럼의 다변량 분석)

  • Kang Tae-Hyoung;Sohn Ok-Jae;Kim Chun-Kwang;Chung Sang-Wook;Rhee Jong-Il
    • KSBB Journal
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    • v.21 no.1 s.96
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    • pp.59-67
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    • 2006
  • 2D spectrofluorometer produces many spectral data during fermentation processes. The fluorescence spectra are analyzed using chemometric methods such as principal component analysis (PCA), principal component regression (PCR) and partial least square regression (PLS). Analysis of the spectral data by PCA results in scores and loadings that are visualized in score-loading plots and used to monitor a few fermentation processes by S. cerevisae and recombinant E. coli. Two chemometric models were established to analyze the correlation between fluorescence spectra and process variables using PCR and PLS, and PLS was found to show slightly better calibration and prediction performance than PCR.

Compensation of Surface Temperature Effect in Determination of Sugar Content of Shingo Pears using NIR (근적외선을 이용한 신고 배 당도판정에 있어 표면 온도영향의 보정)

  • 이강진;최규홍;김기영;최동수
    • Journal of Biosystems Engineering
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    • v.27 no.2
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    • pp.117-124
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    • 2002
  • This research was conducted to develop a method to remove the effect of surface temperature of Shingo pears for sugar content measurement. Sugar content was measured by a near-infrared spectrum analysis technique. Reflected spectrum and sugar content of a pear were used for developing regression models. For the model development, reflected spectrums having wavelengths in the range of 654 to 1,052nm were used. To remove the effect of surface temperature, special sample preparation techniques and partial least square (PLS) regression models were proposed and tested. 71 Shingo pears stored in a cold storage, which had 2$^{\circ}C$ inside temperature, were taken out and left in a room temperature for a while. Temperature and reflected spectrum of each pear was measured. To increase the temperature distribution of samples, temperature and reflected spectrum of each pear was measured four times with one hour twenty minutes interval. During the experiment, temperature of pears increased up to 17 $^{\circ}C$. The total number of measured spectrum was 284. Three groups of spectrum data were formed according to temperature distribution. First group had surface temperature of 14$^{\circ}C$ and total number of 51. Second group consisted of the first and the fourth experiment data which contained the minimum and the maximum temperatures. Third group consisted of 155 data with normal temperature-distribution. The rest data set were used for model evaluation. Results shelved that PLS model I, which was developed by using the first data group, was inadequate for measuring sugar content of pears which had different surface temperatures from 14$^{\circ}C$. After temperature compensation, sugar content predictions became close to the measured values. Since using many data which had wide range of surface temperatures, PLS model II and III were able to predict sugar content of pears without additional temperature compensation. PLS model IV, which included the surface temperatures as an independent variable. showed slightly improved performance(R$^2$=0.73). Performance of the model could be enhanced by using samples with more wide range of temperatures and sugar contents.

Design and performance evaluation of portable electronic nose systems for freshness evaluation of meats II - Performance analysis of electronic nose systems by prediction of total bacteria count of pork meats (육류 신선도 판별을 위한 휴대용 전자코 시스템 설계 및 성능 평가 II - 돈육의 미생물 총균수 예측을 통한 전자코 시스템 성능 검증)

  • Kim, Jae-Gone;Cho, Byoung-Kwan
    • Korean Journal of Agricultural Science
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    • v.38 no.4
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    • pp.761-767
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    • 2011
  • The objective of this study was to predict total bacteria count of pork meats by using the portable electronic nose systems developed throughout two stages of the prototypes. Total bacteria counts were measured for pork meats stored at $4^{\circ}C$ for 21days and compared with the signals of the electronic nose systems. PLS(Partial least square), PCR (Principal component regression), MLR (Multiple linear regression) models were developed for the prediction of total bacteria count of pork meats. The coefficient of determination ($R_p{^2}$) and root mean square error of prediction (RMSEP) for the models were 0.789 and 0.784 log CFU/g with the 1st system for the pork loin, 0.796 and 0.597 log CFU/g with the 2nd system for the pork belly, and 0.661 and 0.576 log CFU/g with the 2nd system for the pork loin respectively. The results show that the developed electronic system has potential to predict total bacteria count of pork meats.

Discrimination of African Yams Containing High Functional Compounds Using FT-IR Fingerprinting Combined by Multivariate Analysis and Quantitative Prediction of Functional Compounds by PLS Regression Modeling (FT-IR 스펙트럼 데이터의 다변량 통계분석을 이용한 고기능성 아프리칸 얌 식별 및 기능성 성분 함량 예측 모델링)

  • Song, Seung Yeob;Jie, Eun Yee;Ahn, Myung Suk;Kim, Dong Jin;Kim, In Jung;Kim, Suk Weon
    • Horticultural Science & Technology
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    • v.32 no.1
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    • pp.105-114
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    • 2014
  • We established a high throughput screening system of African yam tuber lines which contain high contents of total carotenoids, flavonoids, and phenolic compounds using ultraviolet-visible (UV-VIS) spectroscopy and Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. The total carotenoids contents from 62 African yam tubers varied from 0.01 to $0.91{\mu}g{\cdot}g^{-1}$ dry weight (wt). The total flavonoids and phenolic compounds also varied from 12.9 to $229{\mu}g{\cdot}g^{-1}$ and from 0.29 to $5.2mg{\cdot}g^{-1}$dry wt. FT-IR spectra confirmed typical spectral differences between the frequency regions of 1,700-1,500, 1,500-1,300 and $1,100-950cm^{-1}$, respectively. These spectral regions were reflecting the quantitative and qualitative variations of amide I, II from amino acids and proteins ($1,700-1,500cm^{-1}$), phosphodiester groups from nucleic acid and phospholipid ($1,500-1,300cm^{-1}$) and carbohydrate compounds ($1,100-950cm^{-1}$). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate the 62 African yam tuber lines into three separate clusters corresponding to their taxonomic relationship. The quantitative prediction modeling of total carotenoids, flavonoids, and phenolic compounds from African yam tuber lines were established using partial least square regression algorithm from FT-IR spectra. The regression coefficients ($R^2$) between predicted values and estimated values of total carotenoids, flavonoids and phenolic compounds were 0.83, 0.86, and 0.72, respectively. These results showed that quantitative predictions of total carotenoids, flavonoids, and phenolic compounds were possible from FT-IR spectra of African yam tuber lines with higher accuracy. Therefore we suggested that quantitative prediction system established in this study could be applied as a rapid selection tool for high yielding African yam lines.